1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone

C20H21F2N3O3 — CID 51210779

IUPAC1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C20H21F2N3O3/c1-14(26)24-10-12-25(13-11-24)19(27)17-4-2-3-5-18(17)23-15-6-8-16(9-7-15)28-20(21)22/h2-9,20,23H,10-13H2,1H3
InChIKeyGGYVRRQVXGHZBV-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.34
Rot. Bonds5

About 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone (PubChem CID 51210779) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
PubChem CID51210779
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C20H21F2N3O3/c1-14(26)24-10-12-25(13-11-24)19(27)17-4-2-3-5-18(17)23-15-6-8-16(9-7-15)28-20(21)22/h2-9,20,23H,10-13H2,1H3
InChIKeyGGYVRRQVXGHZBV-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
1-[4-[2-[4-(difluoromethylsulfanyl)anilino]benzoyl]piperazin-1-yl]ethanone
CID 52895268
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
CID 55397745
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 56532436
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
CID 46472653
[2-[4-(difluoromethoxy)anilino]phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95585620
2-[4-(difluoromethoxy)phenyl]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35276883

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone (CID 51210779) is 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is GGYVRRQVXGHZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-14(26)24-10-12-25(13-11-24)19(27)17-4-2-3-5-18(17)23-15-6-8-16(9-7-15)28-20(21)22/h2-9,20,23H,10-13H2,1H3.
What are the key properties of 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 389.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 51210779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).